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Iron in PDB 2zi8: Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa)

Enzymatic activity of Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa)

All present enzymatic activity of Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa):
1.13.11.39;

Protein crystallography data

The structure of Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa), PDB code: 2zi8 was solved by I.D'angelo, K.C.Yam, L.D.Eltis, N.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.20
Space group P 4 21 2
Cell size a, b, c (Å), α, β, γ (°) 124.318, 124.318, 106.383, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 26.4

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa) (pdb code 2zi8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa), PDB code: 2zi8:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 2zi8

Go back to Iron Binding Sites List in 2zi8
Iron binding site 1 out of 2 in the Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe701

b:24.0
occ:1.00
 O A:HOH839 1.6 24.2 1.0
OE1 A:GLU266 2.0 13.3 1.0
NE2 A:HIS145 2.2 15.8 1.0
NE2 A:HIS215 2.2 24.4 1.0
OAF A:SDT702 2.3 44.5 1.0
OAE A:SDT702 2.6 43.2 1.0
CE1 A:HIS145 3.0 12.9 1.0
CE1 A:HIS215 3.1 21.9 1.0
CD2 A:HIS215 3.2 20.3 1.0
CD A:GLU266 3.2 18.1 1.0
CAS A:SDT702 3.3 45.4 1.0
CD2 A:HIS145 3.3 20.4 1.0
CAR A:SDT702 3.3 42.1 1.0
O A:HOH842 3.4 30.1 1.0
OH A:TYR256 3.6 17.4 1.0
OE2 A:GLU266 3.8 19.1 1.0
CB A:MET217 4.0 14.3 1.0
NE2 A:HIS200 4.1 9.2 1.0
ND1 A:HIS145 4.1 16.6 1.0
ND1 A:HIS215 4.2 21.2 1.0
CG A:HIS215 4.3 21.1 1.0
CG A:HIS145 4.3 17.9 1.0
CG A:GLU266 4.3 15.9 1.0
CB A:GLU266 4.4 14.2 1.0
CE1 A:HIS247 4.4 29.1 1.0
CG A:MET217 4.4 16.1 1.0
CZ A:TYR256 4.5 13.4 1.0
CAT A:SDT702 4.6 44.2 1.0
CAH A:SDT702 4.7 38.8 1.0
CE1 A:TYR256 4.7 14.0 1.0
CG2 A:VAL147 4.7 19.7 1.0
CE1 A:HIS200 4.9 9.6 1.0
ND1 A:HIS247 4.9 29.7 1.0

Iron binding site 2 out of 2 in 2zi8

Go back to Iron Binding Sites List in 2zi8
Iron binding site 2 out of 2 in the Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe701

b:17.8
occ:1.00
 O B:HOH944 1.6 23.5 1.0
OE1 B:GLU266 1.9 7.5 1.0
NE2 B:HIS215 2.2 12.9 1.0
NE2 B:HIS145 2.2 12.9 1.0
O B:HOH887 2.3 19.9 1.0
OAF B:SDT702 2.8 59.8 1.0
CE1 B:HIS145 3.0 14.1 1.0
CD B:GLU266 3.1 11.3 1.0
CE1 B:HIS215 3.1 18.4 1.0
CD2 B:HIS215 3.1 17.3 1.0
CD2 B:HIS145 3.3 12.3 1.0
OE2 B:GLU266 3.6 18.6 1.0
OH B:TYR256 3.8 16.8 1.0
OAE B:SDT702 3.9 54.8 1.0
CAS B:SDT702 4.0 59.0 1.0
CB B:MET217 4.0 11.6 1.0
NE2 B:HIS200 4.2 14.5 1.0
ND1 B:HIS145 4.2 15.2 1.0
ND1 B:HIS215 4.2 14.4 1.0
CG B:HIS215 4.3 17.2 1.0
CG B:GLU266 4.3 12.7 1.0
CB B:GLU266 4.4 12.9 1.0
CAR B:SDT702 4.4 58.0 1.0
CG B:HIS145 4.4 11.7 1.0
CG B:MET217 4.4 14.0 1.0
CE1 B:HIS247 4.4 21.2 1.0
CG2 B:VAL147 4.7 11.2 1.0
CZ B:TYR256 4.7 11.9 1.0
OD2 B:ASP250 4.7 22.6 1.0
CE2 B:TYR256 4.8 11.2 1.0
ND1 B:HIS247 4.8 22.4 1.0
CE1 B:HIS200 4.9 9.5 1.0

Reference:

K.C.Yam, I.D'angelo, R.Kalscheuer, H.Zhu, J.X.Wang, V.Snieckus, L.H.Ly, P.J.Converse, W.R.Jacobs, N.Strynadka, L.D.Eltis. Studies of A Ring-Cleaving Dioxygenase Illuminate the Role of Cholesterol Metabolism in the Pathogenesis of Mycobacterium Tuberculosis. Plos Pathog. V. 5 E1000 2009.
ISSN: ISSN 1553-7366
PubMed: 19300498
DOI: 10.1371/JOURNAL.PPAT.1000344
Page generated: Sun Aug 4 05:58:56 2024

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